1-chloro-3-(chloromethyl)-2-(4-methoxyphenoxy)benzene

C14H12Cl2O2 — CID 114067983

IUPAC1-chloro-3-(chloromethyl)-2-(4-methoxyphenoxy)benzene
SMILESCOc1ccc(Oc2c(Cl)cccc2CCl)cc1
InChIInChI=1S/C14H12Cl2O2/c1-17-11-5-7-12(8-6-11)18-14-10(9-15)3-2-4-13(14)16/h2-8H,9H2,1H3
InChIKeyLWTFOLRUTGCYAF-UHFFFAOYSA-N
MW283.15 g/mol
LogP4.88
Rot. Bonds4

About 1-chloro-3-(chloromethyl)-2-(4-methoxyphenoxy)benzene

1-chloro-3-(chloromethyl)-2-(4-methoxyphenoxy)benzene (PubChem CID 114067983) has the molecular formula C14H12Cl2O2 and a molecular weight of 283.15 g/mol. Its IUPAC name is 1-chloro-3-(chloromethyl)-2-(4-methoxyphenoxy)benzene.

Molecular Properties

Compound Name1-chloro-3-(chloromethyl)-2-(4-methoxyphenoxy)benzene
PubChem CID114067983
Molecular FormulaC14H12Cl2O2
Molecular Weight283.15 g/mol
Exact Mass282.02
IUPAC Name1-chloro-3-(chloromethyl)-2-(4-methoxyphenoxy)benzene
SMILESCOc1ccc(Oc2c(Cl)cccc2CCl)cc1
InChIInChI=1S/C14H12Cl2O2/c1-17-11-5-7-12(8-6-11)18-14-10(9-15)3-2-4-13(14)16/h2-8H,9H2,1H3
InChIKeyLWTFOLRUTGCYAF-UHFFFAOYSA-N
XLogP4.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.15
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(chloromethyl)-3-fluoro-2-(4-methoxyphenoxy)benzene
CID 114067984
4-[2-chloro-6-(chloromethyl)phenoxy]-2-fluorobenzonitrile
CID 114068043
[4-[2-chloro-6-(hydroxymethyl)phenoxy]phenyl]methanol
CID 114067626
[3-chloro-2-(4-fluorophenoxy)phenyl]methanol
CID 114067610
[3-chloro-2-(4-iodophenoxy)phenyl]methanamine
CID 114069346
1-chloro-3-(chloromethyl)-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene
CID 104564283
1-(bromomethyl)-3-chloro-2-[(4-methoxyphenyl)methoxy]benzene
CID 112613844
5-chloro-2-[(2,6-dichlorophenyl)methyl]-4-(4-methoxyphenoxy)pyridazin-3-one
CID 50904431
2-bromo-1-[2-(chloromethyl)phenoxy]-4-methoxybenzene
CID 104708026
[4-[2-(aminomethyl)-6-chlorophenoxy]phenyl]methanol
CID 114069405
(3-chloro-2-methoxyphenyl)methanol
CID 54184130
1-chloro-3-(chloromethyl)-2-nonoxybenzene
CID 112613503

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(chloromethyl)-2-(4-methoxyphenoxy)benzene?
The IUPAC name of 1-chloro-3-(chloromethyl)-2-(4-methoxyphenoxy)benzene (CID 114067983) is 1-chloro-3-(chloromethyl)-2-(4-methoxyphenoxy)benzene.
What is the SMILES notation for 1-chloro-3-(chloromethyl)-2-(4-methoxyphenoxy)benzene?
The canonical SMILES for 1-chloro-3-(chloromethyl)-2-(4-methoxyphenoxy)benzene is COc1ccc(Oc2c(Cl)cccc2CCl)cc1.
What is the InChIKey of 1-chloro-3-(chloromethyl)-2-(4-methoxyphenoxy)benzene?
The InChIKey is LWTFOLRUTGCYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2O2/c1-17-11-5-7-12(8-6-11)18-14-10(9-15)3-2-4-13(14)16/h2-8H,9H2,1H3.
What are the key properties of 1-chloro-3-(chloromethyl)-2-(4-methoxyphenoxy)benzene?
1-chloro-3-(chloromethyl)-2-(4-methoxyphenoxy)benzene has a molecular weight of 283.15 g/mol, XLogP of 4.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(chloromethyl)-2-(4-methoxyphenoxy)benzene is sourced from PubChem (CID 114067983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).